N-(2,6-difluorophenyl)formamide;3-[[ethyl(2-methylbutyl)amino]methyl]-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

C30H37F2N9OS — CID 143755879

About N-(2,6-difluorophenyl)formamide;3-[[ethyl(2-methylbutyl)amino]methyl]-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

N-(2,6-difluorophenyl)formamide;3-[[ethyl(2-methylbutyl)amino]methyl]-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 143755879) has the molecular formula C30H37F2N9OS and a molecular weight of 609.75 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)formamide;3-[[ethyl(2-methylbutyl)amino]methyl]-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

• Compound Name: N-(2,6-difluorophenyl)formamide;3-[[ethyl(2-methylbutyl)amino]methyl]-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
• PubChem CID: 143755879
• Molecular Formula: C30H37F2N9OS
• Molecular Weight: 609.75 g/mol
• Exact Mass: 609.28
• IUPAC Name: N-(2,6-difluorophenyl)formamide;3-[[ethyl(2-methylbutyl)amino]methyl]-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
• SMILES: CCC(C)CN(CC)Cc1cc(Nc2nc(C)cn3c(-c4cnn(CC)c4)cnc23)sn1.O=CNc1c(F)cccc1F
• InChI: InChI=1S/C23H32N8S.C7H5F2NO/c1-6-16(4)12-29(7-2)15-19-9-21(32-28-19)27-22-23-24-11-20(31(23)13-17(5)26-22)18-10-25-30(8-3)14-18;8-5-2-1-3-6(9)7(5)10-4-11/h9-11,13-14,16H,6-8,12,15H2,1-5H3,(H,26,27);1-4H,(H,10,11)
• InChIKey: IPMPPFPGMUBABI-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 105.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.75
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)formamide;3-[[ethyl(2-methylbutyl)amino]methyl]-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?

The IUPAC name of N-(2,6-difluorophenyl)formamide;3-[[ethyl(2-methylbutyl)amino]methyl]-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 143755879) is N-(2,6-difluorophenyl)formamide;3-[[ethyl(2-methylbutyl)amino]methyl]-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

What is the SMILES notation for N-(2,6-difluorophenyl)formamide;3-[[ethyl(2-methylbutyl)amino]methyl]-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?

The canonical SMILES for N-(2,6-difluorophenyl)formamide;3-[[ethyl(2-methylbutyl)amino]methyl]-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is CCC(C)CN(CC)Cc1cc(Nc2nc(C)cn3c(-c4cnn(CC)c4)cnc23)sn1.O=CNc1c(F)cccc1F.

What is the InChIKey of N-(2,6-difluorophenyl)formamide;3-[[ethyl(2-methylbutyl)amino]methyl]-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?

The InChIKey is IPMPPFPGMUBABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N8S.C7H5F2NO/c1-6-16(4)12-29(7-2)15-19-9-21(32-28-19)27-22-23-24-11-20(31(23)13-17(5)26-22)18-10-25-30(8-3)14-18;8-5-2-1-3-6(9)7(5)10-4-11/h9-11,13-14,16H,6-8,12,15H2,1-5H3,(H,26,27);1-4H,(H,10,11).

What are the key properties of N-(2,6-difluorophenyl)formamide;3-[[ethyl(2-methylbutyl)amino]methyl]-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?

N-(2,6-difluorophenyl)formamide;3-[[ethyl(2-methylbutyl)amino]methyl]-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 609.75 g/mol, XLogP of 6.52, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-difluorophenyl)formamide;3-[[ethyl(2-methylbutyl)amino]methyl]-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 143755879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).